SCHEMBL175155

SCHEMBL175155

COC(=O)c1c(C)nn(C)c1-c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
P2RX7 Q99572 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
HSD11B1 P28845 1/20 0.40
DPP4 P27487 1/20 0.40
PLA2G2A P14555 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
LMNA P02545 2/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
IGF1R P08069 1/20 0.38
DHODH Q02127 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21981596 0.90 ALDH1A1 (0.44) ALDH1A1P2RX7CYP1A2CYP2C19CYP3A4
SCHEMBL21981605 0.88 DPP4 (0.51) ALDH1A1CYP1A2CYP2C19CYP3A4HSD11B1
SCHEMBL174691 0.86 P2RX7 (0.43) P2RX7CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL21987835 0.85 P2RX7 (0.47) ALDH1A1P2RX7DPP4PLA2G2ALMNA
SCHEMBL173927 0.82 CYP1A2 (0.48) ALDH1A1P2RX7CYP1A2CYP2C19CYP3A4
SCHEMBL20673407 0.80 P2RX7 (0.47) ALDH1A1P2RX7DPP4LMNA
SCHEMBL174763 0.80 P2RX7 (0.45) ALDH1A1P2RX7CYP1A2CYP2C19CYP3A4
SCHEMBL20673409 0.80 CYP1A2 (0.46) ALDH1A1P2RX7CYP1A2CYP2C19CYP3A4
SCHEMBL21981603 0.79 LMNA (0.49) LMNADHODH
SCHEMBL20673616 0.77 GRM5 (0.43) ALDH1A1PLA2G2ALMNADHODHHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172491-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-04 US disclosed
US-20200172491-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-04 US disclosed
EP-3655393-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2020-05-27 EP disclosed
CN-110891941-A Substituted 5- (hetero) arylpyrazolamides and their salts and their use as herbicidally active substances 拜耳作物科学股份公司 2020-03-17 CN disclosed
WO-2019016069-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 WO disclosed
WO-2019016069-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 WO disclosed
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200172491-A1 SUBSTITUTED 5-(HET-)ARYLPYRAZOLAMIDES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES CYP4Z1, CYP3A5, CYP4X1 ALDH1A1 570/4885P2RX7 1023/4885CYP1A2 9/4885
US-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 ALDH1A1 565/4885P2RX7 316/4885CYP1A2 8/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 ALDH1A1 565/4885P2RX7 316/4885CYP1A2 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.